Chemical Properties of AJMALINE, M(HO-), AC

AJMALINE, M(HO-), AC

InChI
InChI=1S/C26H32N2O6/c1-6-16-17-10-20-23-26(18-9-15(32-12(2)29)7-8-19(18)27(23)5)11-21(22(17)24(26)33-13(3)30)28(20)25(16)34-14(4)31/h7-9,16-17,20-25H,6,10-11H2,1-5H3/t16?,17?,20?,21?,22-,23?,24-,25-,26-/m0/s1
InChI Key
IQBHXEBPPOSIQT-AOSISCJSSA-N
Formula
C26H32N2O6
SMILES
CCC1C2CC3C4N(C)c5ccc(OC(C)=O)cc5C45CC(C2C5OC(C)=O)N3C1OC(C)=O
Molecular Weight1
468.54
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Physical Properties

Property Value Unit Source
ω 0.8843 Relay (1.0) Calculated Property
ΔfG° -265.19 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -901.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 149.48 kJ/mol Relay (1.0) Calculated Property
IE 6.81 eV Relay (1.0) Calculated Property
log10WS -3.59 Relay (1.0) Calculated Property
logPoct/wat 2.621 Crippen Calculated Property
McVol 341.420 ml/mol McGowan Calculated Property
Pc 558.99 kPa Relay (1.0-beta) Calculated Property
Inp 3100.00 NIST
Tboil 698.15 K Relay (1.0) Calculated Property
Tc 1072.30 K Relay (1.0) Calculated Property
Tfus 433.21 K Relay (1.0) Calculated Property
Vc 1.293 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Dihydroergokryptine. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to AJMALINE, M(HO-), AC.

Sources

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